(1,8-naphthyridin-2-ylmethylideneamino)thiourea

C10H9N5S — CID 75146831

IUPAC(1,8-naphthyridin-2-ylmethylideneamino)thiourea
SMILESNC(=S)NN=Cc1ccc2cccnc2n1
InChIInChI=1S/C10H9N5S/c11-10(16)15-13-6-8-4-3-7-2-1-5-12-9(7)14-8/h1-6H,(H3,11,15,16)
InChIKeyWIVGRUDOWSBQSR-UHFFFAOYSA-N
MW231.28 g/mol
LogP0.80
Rot. Bonds2

About (1,8-naphthyridin-2-ylmethylideneamino)thiourea

(1,8-naphthyridin-2-ylmethylideneamino)thiourea (PubChem CID 75146831) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is (1,8-naphthyridin-2-ylmethylideneamino)thiourea.

Molecular Properties

Compound Name(1,8-naphthyridin-2-ylmethylideneamino)thiourea
PubChem CID75146831
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name(1,8-naphthyridin-2-ylmethylideneamino)thiourea
SMILESNC(=S)NN=Cc1ccc2cccnc2n1
InChIInChI=1S/C10H9N5S/c11-10(16)15-13-6-8-4-3-7-2-1-5-12-9(7)14-8/h1-6H,(H3,11,15,16)
InChIKeyWIVGRUDOWSBQSR-UHFFFAOYSA-N
XLogP0.80
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,8-naphthyridin-2-ylmethylideneamino)thiourea?
The IUPAC name of (1,8-naphthyridin-2-ylmethylideneamino)thiourea (CID 75146831) is (1,8-naphthyridin-2-ylmethylideneamino)thiourea.
What is the SMILES notation for (1,8-naphthyridin-2-ylmethylideneamino)thiourea?
The canonical SMILES for (1,8-naphthyridin-2-ylmethylideneamino)thiourea is NC(=S)NN=Cc1ccc2cccnc2n1.
What is the InChIKey of (1,8-naphthyridin-2-ylmethylideneamino)thiourea?
The InChIKey is WIVGRUDOWSBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-10(16)15-13-6-8-4-3-7-2-1-5-12-9(7)14-8/h1-6H,(H3,11,15,16).
What are the key properties of (1,8-naphthyridin-2-ylmethylideneamino)thiourea?
(1,8-naphthyridin-2-ylmethylideneamino)thiourea has a molecular weight of 231.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-naphthyridin-2-ylmethylideneamino)thiourea is sourced from PubChem (CID 75146831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).